Development of microstructural simulation tools for fusion materials

核聚变技术发展的一个关键限制是反应堆关键部件材料的开发，这些部件在使用过程中能够承受巨大的热通量和应力。为了加速材料开发过程，英国原子能管理局（UKAEA）进行了大规模的建模研究工作，以预测这些材料在极端条件下的响应，并确定了在微观结构尺度上对新材料模型的迫切需求。在您的博士学位期间，您将为融合社区开发这些微观结构建模能力，具有灵活，适应性强和用户友好的多物理框架。该框架的发展将受到跨越熔融材料极端的特定材料问题的推动：循环高热通量对耐火材料W变形的影响以及不断变化的沉淀对Cu-Cr-Zr合金力学性能的影响。您将首先使用全场晶体塑性和沉淀模型来评估Cu-Cr-Zr合金在使用过程中过度时效期间塑性对温度和溶质扩散的依赖。随后，这将与BCC晶体中非施密德效应的热激活位错驱动模型相结合，以解决纯W在使用过程中产生的循环热负荷和二次应力问题。局部应力（右）和应变（中）映射到30%冷轧和再结晶的代表性体积单元（左）的变形结构上。使用DAMASK进行晶体塑性模拟。这项工作将使用DAMASK模拟工具包（damascus .mpie.de）执行，您将有机会为其开发做出贡献。您将与其他博士生和高级研究人员密切合作，利用他们的数据帮助开发新模型并获得材料参数。您还可以使用曼彻斯特大学和国家设施的高性能计算设备

A key limitation in the advancement of nuclear fusion technologies is the development of materials for critical reactor components capable of withstanding enormous heat fluxes and stresses during service. To accelerate the materials development process, the UK Atomic Energy Authority (UKAEA) has undertaken a large-scale modelling research effort to predict the response of these materials under extreme conditions and have identified an urgent need for new material models at the microstructural scale. During your PhD, you will develop these microstructural modelling capabilities for the fusion community with a multi-physics framework that is flexible, adaptable and user-friendly. The framework development will be driven by specific materials problems spanning the extremes of fusion materials: the effect of cyclic high heat flux on deformation in refractory W and the effect of evolving precipitation on the mechanical properties of Cu-Cr-Zr alloys. You will start by using full-field crystal plasticity and precipitation modelling to assess the dependence of plasticity on temperature and solute diffusion during the over-aging of Cu-Cr-Zr alloys while in service. Later, this will be combined with thermally activated dislocation-driven models for non-Schmid effects in BCC crystals to address the problem of cyclic heat loads and secondary stresses that develop in pure W during service.Local stresses (right) and strains (mid) mapped onto the deformed configuration of the 30% cold-rolled and recrystallized representative volume element (left). Crystal plasticity simulations performed using DAMASK. This work will be performed using the DAMASK simulation kit (damask.mpie.de), and you will have the opportunity to contribute to its development. You will work closely with other PhD students and senior researchers, using their data to help develop new models and obtain materials parameters. You will also have access to high-performance computing facilities at the University of Manchester and national facilities